Structure of PDB 4hnv Chain A Binding Site BS02

Receptor Information
>4hnv Chain A (length=1133) Species: 1280 (Staphylococcus aureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QIKKLLVANRGEIAIRIFEAAAELDISTVAIYSNEDKSSLHRYKADESYL
VGSDLGPAESYLNIERIIDVAKQANVDAIHPGYGFLSENEQFARRCAEEG
IKFIGPHLEHLDMFGDKVKARTTAIKADLPVIPGTDGPIKSYELAKEFAE
EAGFPLMIKATSRIVREESELEDAFHRAKSEAEKSEVYIERYIDNPKHIE
VQVIGDEHGNIVHLFERDCSVQRRHQKVVEVAPSVGLSPTLRQRICDAAI
QLMENIKYVNAGTVEFLVSGDEFFFIEVNPRVQVEHTITEMVTGIDIVKT
QILVAAGADLFGEEINMPQQKDITTLGYAIQCRITTEDPLNDFMPDTGTI
IAYRSSGGFGVRLDAGDGFQGAEISPYYDSLLVKLSTHAISFKQAEEKMV
RSLREMRIRGVKTNIPFLINVMKNKKFTSGDYTTKFIEETPELFDIQPSL
DRGTKTLEYIGNVTINGFPNVEKRPKPDYELASIPTVSSSKIASFSGTKQ
LLDEVGPKGVAEWVKKQDDVLLTDTTFRDAHQSLLATRVRTKDMINIASK
TADVFKDGFSLEMWGGATFDVAYNFLKENPWERLERLRKAIPNVLFQMLL
RASNAVGYKNYPDNVIHKFVQESAKAGIDVFRIFDSLNWVDQMKVANEAV
QEAGKISEGTICYTGDILNPERSNIYTLEYYVKLAKELEREGFHILAIKD
MAGLLKPKAAYELIGELKSAVDLPIHLHTHDTSGNGLLTYKQAIDAGVDI
IDTAVASMSGLTSQPSANSLYYALNGFPRHLRTDIEGMESLSHYWSTVRT
YYSDFESDIKSPNTEIYQHEMPGGQYSNLSQQAKSLGLGERFDEVKDMYR
RVNFLFGDIVKVTPSSKVVGDMALYMVQNDLDEQSVITDGYKLDFPESVV
SFFKGEIGQPVNGFNKDLQAVILKGQEALTARPGEYLEPVDFEKVRELLE
EEQQGPVTEQDIISYVLYPKVYEQYIQTRNQYGNLSLLDTPTFFFGMRNG
ETVEIEIDKGKRLIIKLETISEPDENGNRTIYYAMNGQARRIYIKDENVH
TNANVKPKADKSNPSHIGAQMPGSVTEVKVSVGETVKANQPLLITEAMKM
ETTIQAPFDGVIKQVTVNNGDTIATGDLLIEIE
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain4hnv Chain A Residue 1202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4hnv Characterizing the Importance of the Biotin Carboxylase Domain Dimer for Staphylococcus aureus Pyruvate Carboxylase Catalysis.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		D572 K741 H771 H773
Binding residue
(residue number reindexed from 1)		D529 K699 H728 H730
Annotation score1
Enzymatic activity
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004736 pyruvate carboxylase activity
GO:0005524 ATP binding
GO:0016874 ligase activity
GO:0042802 identical protein binding
GO:0046872 metal ion binding
Biological Process
GO:0006090 pyruvate metabolic process
GO:0006094 gluconeogenesis
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4hnv, PDBe:4hnv, PDBj:4hnv
PDBsum4hnv
PubMed23286247
UniProtA0A0H3JRU9|PYC_STAAM Pyruvate carboxylase (Gene Name=pycA)

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